Isopropyl 2-(1H-pyrrol-1-yl)acetate

Base Information

• Chemical Name: Isopropyl 2-(1H-pyrrol-1-yl)acetate
• CAS No.: 157071-49-3
• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.208
• DSSTox Substance ID: DTXSID001297012
• Nikkaji Number: J613.978G
• Mol file: 157071-49-3.mol

Synonyms:157071-49-3;Propan-2-yl 2-pyrrol-1-ylacetate;Isopropyl 2-(1H-pyrrol-1-yl)acetate;1H-Pyrrole-1-aceticacid,1-methylethylester(9CI);DTXSID001297012;1-Methylethyl 1H-pyrrole-1-acetate;2-(1H-Pyrrol-1-yl)acetic acid isopropyl ester

Chemical Property of Isopropyl 2-(1H-pyrrol-1-yl)acetate

Chemical Property:

• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 167.094628657
• Heavy Atom Count: 12
• Complexity: 151

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)OC(=O)CN1C=CC=C1

Technology Process of Isopropyl 2-(1H-pyrrol-1-yl)acetate

There total 1 articles about Isopropyl 2-(1H-pyrrol-1-yl)acetate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

pyrrole (109-97-7,30604-81-0) + isopropyl 2-bromoacetate (29921-57-1) → Isopropyl 1-pyrrolylacetate (157071-49-3)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; methylmagnesium chloride; Yield given. Multistep reaction; 1.) THF, r.t., 0.5 h, 2.) r.t.;

DOI:10.1021/jo00097a025

upstream raw materials:

pyrrole

isopropyl 2-bromoacetate

Refernces